1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(methylthio)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione Traditional Name: 3-[3-(methylthio)phenyl]-1-p-anisyl-7H-purine-2,6-quinone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)SC

InChI

InChI=1S/C20H18N4O3S/c1-27-15-8-6-13(7-9-15)11-23-19(25)17-18(22-12-21-17)24(20(23)26)14-4-3-5-16(10-14)28-2/h3-10,12H,11H2,1-2H3,(H,21,22)